2-chloro-4-pyridin-3-ylpyrimidine

C9H6ClN3 — CID 11805543

IUPAC2-chloro-4-pyridin-3-ylpyrimidine
SMILESClc1nccc(-c2cccnc2)n1
InChIInChI=1S/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
InChIKeyMGQROXOMFRGAOY-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-4-pyridin-3-ylpyrimidine

2-chloro-4-pyridin-3-ylpyrimidine (PubChem CID 11805543) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-chloro-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-pyridin-3-ylpyrimidine
PubChem CID11805543
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name2-chloro-4-pyridin-3-ylpyrimidine
SMILESClc1nccc(-c2cccnc2)n1
InChIInChI=1S/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
InChIKeyMGQROXOMFRGAOY-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Amprolium Hydrochloride
CID 8732
Quinazoline
CID 9210
Amprolium
CID 73341
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
4-Iodo-6-phenylpyrimidine
CID 817368
1,8-Naphthyridine
CID 136069
Quinazolin-2-amine
CID 519332
Pik-iii
CID 67983123
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-chloro-4-pyridin-3-ylpyrimidine (CID 11805543) is 2-chloro-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-chloro-4-pyridin-3-ylpyrimidine is Clc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-chloro-4-pyridin-3-ylpyrimidine?
The InChIKey is MGQROXOMFRGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H.
What are the key properties of 2-chloro-4-pyridin-3-ylpyrimidine?
2-chloro-4-pyridin-3-ylpyrimidine has a molecular weight of 191.62 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 11805543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).