N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

C15H14ClF2N3 — CID 15604599

IUPACN-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESFc1cncc(N(c2ccc(F)c(Cl)c2)[C@H]2CCNC2)c1
InChIInChI=1S/C15H14ClF2N3/c16-14-6-11(1-2-15(14)18)21(12-3-4-19-8-12)13-5-10(17)7-20-9-13/h1-2,5-7,9,12,19H,3-4,8H2/t12-/m0/s1
InChIKeyMBKIPIPJCGAWDI-LBPRGKRZSA-N
MW309.75 g/mol
LogP3.51
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 15604599) has the molecular formula C15H14ClF2N3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
PubChem CID15604599
Molecular FormulaC15H14ClF2N3
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESFc1cncc(N(c2ccc(F)c(Cl)c2)[C@H]2CCNC2)c1
InChIInChI=1S/C15H14ClF2N3/c16-14-6-11(1-2-15(14)18)21(12-3-4-19-8-12)13-5-10(17)7-20-9-13/h1-2,5-7,9,12,19H,3-4,8H2/t12-/m0/s1
InChIKeyMBKIPIPJCGAWDI-LBPRGKRZSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
CID 66657165
N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604597
(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
CID 15604680
(3S)-N-(3-chloro-4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine;hydrochloride
CID 66657175
bis(but-2-enedioic acid);N-(3-chloro-4-fluorophenyl)-N-(4-pyridin-2-yloxybutyl)pyrrolidin-3-amine
CID 66657214
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-cyclobutyl-5-fluoro-N-methylpyridin-3-amine
CID 127002217
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63298327
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (CID 15604599) is N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is Fc1cncc(N(c2ccc(F)c(Cl)c2)[C@H]2CCNC2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is MBKIPIPJCGAWDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14ClF2N3/c16-14-6-11(1-2-15(14)18)21(12-3-4-19-8-12)13-5-10(17)7-20-9-13/h1-2,5-7,9,12,19H,3-4,8H2/t12-/m0/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 309.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 15604599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).