cyclopropylmethyl 4-chloropyridine-2-carboxylate

C10H10ClNO2 — CID 63840175

IUPACcyclopropylmethyl 4-chloropyridine-2-carboxylate
SMILESO=C(OCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H10ClNO2/c11-8-3-4-12-9(5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyNLJOIYUZHUYDHC-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.30
Rot. Bonds3

About cyclopropylmethyl 4-chloropyridine-2-carboxylate

cyclopropylmethyl 4-chloropyridine-2-carboxylate (PubChem CID 63840175) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is cyclopropylmethyl 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-chloropyridine-2-carboxylate
PubChem CID63840175
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namecyclopropylmethyl 4-chloropyridine-2-carboxylate
SMILESO=C(OCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H10ClNO2/c11-8-3-4-12-9(5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyNLJOIYUZHUYDHC-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319361
piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
CID 53409799
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
(2-chlorophenyl)methyl 4-chloropyridine-2-carboxylate
CID 60630389
2-propan-2-yloxyethyl 4-chloropyridine-2-carboxylate
CID 60705355
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-chloropyridine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 4-chloropyridine-2-carboxylate (CID 63840175) is cyclopropylmethyl 4-chloropyridine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-chloropyridine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-chloropyridine-2-carboxylate is O=C(OCC1CC1)c1cc(Cl)ccn1.
What is the InChIKey of cyclopropylmethyl 4-chloropyridine-2-carboxylate?
The InChIKey is NLJOIYUZHUYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-4-12-9(5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of cyclopropylmethyl 4-chloropyridine-2-carboxylate?
cyclopropylmethyl 4-chloropyridine-2-carboxylate has a molecular weight of 211.65 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 63840175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).