2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride

C8H5Cl2NO — CID 175250868

IUPAC2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccncc1Cl
InChIInChI=1S/C8H5Cl2NO/c1-5(8(10)12)6-2-3-11-4-7(6)9/h2-4H,1H2
InChIKeyULVWTBDODLQEDZ-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.51
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride

2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride (PubChem CID 175250868) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride
PubChem CID175250868
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1ccncc1Cl
InChIInChI=1S/C8H5Cl2NO/c1-5(8(10)12)6-2-3-11-4-7(6)9/h2-4H,1H2
InChIKeyULVWTBDODLQEDZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-chloropyridine-4-carboxylate
CID 15324397
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
3-chloropyridine-4-carbothioamide
CID 82668449
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride?
The IUPAC name of 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride (CID 175250868) is 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride is C=C(C(=O)Cl)c1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride?
The InChIKey is ULVWTBDODLQEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c1-5(8(10)12)6-2-3-11-4-7(6)9/h2-4H,1H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride?
2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride has a molecular weight of 202.04 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)prop-2-enoyl chloride is sourced from PubChem (CID 175250868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).