8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine

C18H14ClF2N3 — CID 146611650

IUPAC8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccc3nccc(Cl)c3n2)c1
InChIInChI=1S/C18H14ClF2N3/c19-13-7-8-22-15-5-6-17(23-18(13)15)24-9-1-2-16(24)12-10-11(20)3-4-14(12)21/h3-8,10,16H,1-2,9H2/t16-/m1/s1
InChIKeyWBBXIDXJTBEQBC-MRXNPFEDSA-N
MW345.78 g/mol
LogP4.90
Rot. Bonds2

About 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine

8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine (PubChem CID 146611650) has the molecular formula C18H14ClF2N3 and a molecular weight of 345.78 g/mol. Its IUPAC name is 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
PubChem CID146611650
Molecular FormulaC18H14ClF2N3
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccc3nccc(Cl)c3n2)c1
InChIInChI=1S/C18H14ClF2N3/c19-13-7-8-22-15-5-6-17(23-18(13)15)24-9-1-2-16(24)12-10-11(20)3-4-14(12)21/h3-8,10,16H,1-2,9H2/t16-/m1/s1
InChIKeyWBBXIDXJTBEQBC-MRXNPFEDSA-N
XLogP4.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridin-4-yl]amino]cyclopentan-1-ol
CID 175746907
10-chloro-4-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,7,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 147382915
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-amine
CID 58334496
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridine-3-carboxamide
CID 156771226
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 58335520
4-[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]aniline
CID 89131016
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-methoxycyclohexyl)imidazo[4,5-b]pyridine-3-carboxamide
CID 175129827
(6R)-9-fluoro-13-oxa-2,17,21,25-tetrazapentacyclo[16.6.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,18(26),19,21,23-octaene-19-carboxylic acid
CID 146212744
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The IUPAC name of 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine (CID 146611650) is 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine is Fc1ccc(F)c([C@H]2CCCN2c2ccc3nccc(Cl)c3n2)c1.
What is the InChIKey of 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine?
The InChIKey is WBBXIDXJTBEQBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14ClF2N3/c19-13-7-8-22-15-5-6-17(23-18(13)15)24-9-1-2-16(24)12-10-11(20)3-4-14(12)21/h3-8,10,16H,1-2,9H2/t16-/m1/s1.
What are the key properties of 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine?
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine has a molecular weight of 345.78 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 146611650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).